>compound Urocanic acid_Urocanic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C6H6N2O2
#smiles OC(=O)C=Cc(c1)ncn1
#RECORD LC-ESI-QTOF_train_data/PR100271.txt;LC-ESI-QTOF_train_data/PR100694.txt
>charge 1
>ionization [M+H]+
>parentmass 139.05073

>collision 5-60
66.0357 286.7
93.0463 1794.0
95.0623 665.7
121.041 2590.0
139.0507 2267.0

>collision 5-60
93.0457 224.6
137.0351 50.33

